[QE-users] Help Needed with Empty Trace File in BoltzTrap Calculation

[Elham Rezaee]

Dear Quantum ESPRESSO Users,
I am currently performing calculations using BoltzTrap and have encountered an issue that I hope you might help me resolve. I ran BoltzTrap using an unsymmetric CIF file, but my resulting prefix.trace file is empty, displaying values like the attachment. Does anyone have any ideas why this might be happening or suggestions on how to fix it?
Thank you,
Best regards,
Elham Rezaee,
UNB, Canada, PhD

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